pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	AttenGpKa training set	0	-1	C[C@@]1(c2cccc3ccccc23)C(=O)NC(=O)[C@@H]1C(N)=O	C[C@@]1(c2cccc3ccccc23)C(=O)NC(=O)[C@@H]1C([NH-])=O,C[C@@]1(c2cccc3ccccc23)C(=O)[N-]C(=O)[C@@H]1C(N)=O,C[C@@]1(c2cccc3ccccc23)C(=O)NC(=O)[C-]1C(N)=O	mol12081	CC1(c2cccc3ccccc23)C(=O)NC(=O)C1C(N)=O